Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKDLLQAQQKLIPDLIDKMYKRFSILTTISKNQPVGRRSLSEHMDMTERVLRSETDMLKKQDLIKVKPTGMEITAEGEQLISQLKGYFDIYADDNRLSEGIKNKFQIKEVHVVPGDADNSQSVKTELGRQAGQLLEGILQEDAIVAVTGGSTMACVSEAIHLLPYN--VFFVPARGGLGENVVFQANTIAASMAQQAGGYYTTMYVPDNVSETTYNTLLLEPSVINTLDKIKQANVILHGIGDALKMAHRRQSPEKVIEQLQHHQAVGEAFGYYFDTQGQIVHKVKTIGLQLEDLESKDFIFAVAGGKSKGEAIKAYLTIAPKNTVLITDEAAAKIILE |
3BXG Chain:B ((12-252)) | ------------------------------------------------------------------------------------------------LEKTLKERLNLKDAIIVSGDSDQSPWVKKEMGRAAVACMKKRFSGKNIVAVTGGTTIEAVAEMMTPDSKNRELLFVPARGGLGEDVKNQANTICAHMAEKASGTYRLLFVPGQLSQGAYSSIIEEPSVKEVLNTIKSASMLVHGIGEAKTMAQRRNTPLEDLKKIDDNDAVTEAFGYYFNADGEVVHKVHSVGMQLDDIDAIPDIIAVAGGSSKAEAIEAYFK-KPRNTVLVTDEGAAKKLL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3BXG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -156221 for 2118 contacts (-73.8/contact) +
2D Compatibility (PS) -25911 + (NN) -11238 + (LL) 7612
1D Compatibility (HY) -20400 + (ID) 5600
Total energy: -211758.0 ( -99.98 by residue)
QMean score : 0.575
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